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CHEBI:222920 - Oxirapentyn

ChEBI IDCHEBI:222920
ChEBI NameOxirapentyn
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESC=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@]13O[C@@H]3C2=O
InChIInChI=1S/C18H20O6/c1-9(2)6-7-17-12(20)13-18(23-13)8-11(21-10(3)19)16(4,5)22-15(18)14(17)24-17/h11,13-15H,1,8H2,2-5H3/t11-,13-,14+,15+,17-,18-/m1/s1
InChIKeyUDLWCNHPUOUNNV-DAWOBSAHSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (6685722)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn (CHEBI:222920) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
Manual XrefsDatabases
78443044ChemSpider